N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c24-20(21-15-5-7-18-19(13-15)28-11-3-10-27-18)14-4-6-16(17(12-14)23(25)26)22-8-1-2-9-22/h4-7,12-13H,1-3,8-11H2,(H,21,24)